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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-10-25 15:06:25 UTC
Update Date2022-09-22 17:43:53 UTC
HMDB IDHMDB0005102
Secondary Accession Numbers
  • HMDB05102
Metabolite Identification
Common NameProstaglandin D1
DescriptionProstaglandin D1 is a prostanoid that elicits contractile and relaxant on isolated human pial arteries with small potency. Prostanoids is a term that collectively describes prostaglandins, prostacyclines and thromboxanes. Prostanoids are a subclass of the lipid mediator group known as eicosanoids. They derive from C-20 polyunsaturated fatty acids, mainly dihomo-gamma-linoleic (20:3n-6), arachidonic (20:4n-6), and eicosapentaenoic (20:5n-3) acids, through the action of cyclooxygenases-1 and -2 (COX-1 and COX-2). The reaction product of COX is the unstable endoperoxide prostaglandin H (PGH) that is further transformed into the individual prostanoids by a series of specific prostanoid synthases. Prostanoids are local-acting mediators formed and inactivated within the same or neighbouring cells prior to their release into circulation as inactive metabolites (15-keto- and 13,14-dihydroketo metabolites). Non-enzymatic peroxidation of arachidonic acid and other fatty acids in vivo can result in prostaglandin-like substances isomeric to the COX-derived prostaglandins that are termed isoprostanes. Prostanoids take part in many physiological and pathophysiological processes in practically every organ, tissue and cell, including the vascular, renal, gastrointestinal and reproductive systems. Their activities are mediated through prostanoid-specific receptors and intracellular signalling pathways, whilst their biosynthesis and action are blocked by nonsteroidal antiinflammatory drugs (NSAID). Isoprostanes are considered to be reliable markers of oxidant stress status and have been linked to inflammation, ischaemia-reperfusion, diabetes, cardiovascular disease, reproductive disorders and diabetes. (PMID: 6091419 , 16986207 )Prostaglandins are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways.
Structure
Data?1582752345
Synonyms
ValueSource
5-Hydroxy-2-(3-hydroxy-1-octenyl)-3-oxocyclopentaneheptanoic acidChEBI
PGD1ChEBI
5-Hydroxy-2-(3-hydroxy-1-octenyl)-3-oxocyclopentaneheptanoateGenerator
(13E,15S)-9alpha,15-Dihydroxy-11-oxoprost-13-en-1-OateHMDB
(13E,15S)-9alpha,15-Dihydroxy-11-oxoprost-13-en-1-Oic acidHMDB
11-dehydro-Prostaglandin F1aHMDB
2-Hydroxy-5-(3S-hydroxy-1-octenyl)-3-oxocyclopentaneheptanoateHMDB
2-Hydroxy-5-(3S-hydroxy-1-octenyl)-3-oxocyclopentaneheptanoic acidHMDB
5-Hydroxy-2-(3-hydroxy-1-octenyl)-3-oxo-cyclopentaneheptanoateHMDB
5-Hydroxy-2-(3-hydroxy-1-octenyl)-3-oxo-cyclopentaneheptanoic acidHMDB
9a,15-Dihydroxy-11-ketoprost-13-enoateHMDB
9a,15-Dihydroxy-11-ketoprost-13-enoic acidHMDB
9S,15S-Dihydroxy-11-oxo-13E-prostaenoateHMDB
9S,15S-Dihydroxy-11-oxo-13E-prostaenoic acidHMDB
Prostaglandin D1MeSH
Chemical FormulaC20H34O5
Average Molecular Weight354.481
Monoisotopic Molecular Weight354.240624198
IUPAC Name7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]heptanoic acid
Traditional Nameprostaglandin D1
CAS Registry Number17968-82-0
SMILES
CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](CCCCCCC(O)=O)[C@@H](O)CC1=O
InChI Identifier
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-18,21-22H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-/m0/s1
InChI KeyCIMMACURCPXICP-PNQRDDRVSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassEicosanoids
Direct ParentProstaglandins and related compounds
Alternative Parents
Substituents
  • Prostaglandin skeleton
  • Long-chain fatty acid
  • Fatty alcohol
  • Hydroxy fatty acid
  • Cyclopentanol
  • Cyclic alcohol
  • Cyclic ketone
  • Ketone
  • Secondary alcohol
  • Carboxylic acid
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Carbonyl group
  • Organooxygen compound
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Process
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP3.172Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.076 g/LALOGPS
logP3.12ALOGPS
logP3.59ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)4.45ChemAxon
pKa (Strongest Basic)-1.6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area94.83 ŲChemAxon
Rotatable Bond Count13ChemAxon
Refractivity98.32 m³·mol⁻¹ChemAxon
Polarizability42.16 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+188.2331661259
DarkChem[M-H]-189.41331661259
DeepCCS[M+H]+203.72430932474
DeepCCS[M-H]-201.36630932474
DeepCCS[M-2H]-235.23330932474
DeepCCS[M+Na]+210.46130932474
AllCCS[M+H]+194.132859911
AllCCS[M+H-H2O]+191.532859911
AllCCS[M+NH4]+196.632859911
AllCCS[M+Na]+197.232859911
AllCCS[M-H]-192.332859911
AllCCS[M+Na-2H]-193.632859911
AllCCS[M+HCOO]-195.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Prostaglandin D1CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](CCCCCCC(O)=O)[C@@H](O)CC1=O4341.3Standard polar33892256
Prostaglandin D1CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](CCCCCCC(O)=O)[C@@H](O)CC1=O2718.7Standard non polar33892256
Prostaglandin D1CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](CCCCCCC(O)=O)[C@@H](O)CC1=O2841.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Prostaglandin D1,1TMS,isomer #1CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)O)O[Si](C)(C)C2816.4Semi standard non polar33892256
Prostaglandin D1,1TMS,isomer #2CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C2783.6Semi standard non polar33892256
Prostaglandin D1,1TMS,isomer #3CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C)[C@@H]1CCCCCCC(=O)O2750.9Semi standard non polar33892256
Prostaglandin D1,1TMS,isomer #4CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C)C[C@H](O)[C@@H]1CCCCCCC(=O)O2909.0Semi standard non polar33892256
Prostaglandin D1,1TMS,isomer #5CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O)[C@@H]1CCCCCCC(=O)O2740.7Semi standard non polar33892256
Prostaglandin D1,2TMS,isomer #1CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C)[C@@H]1CCCCCCC(=O)O)O[Si](C)(C)C2757.1Semi standard non polar33892256
Prostaglandin D1,2TMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2809.2Semi standard non polar33892256
Prostaglandin D1,2TMS,isomer #3CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O)[C@@H]1CCCCCCC(=O)O)O[Si](C)(C)C2971.9Semi standard non polar33892256
Prostaglandin D1,2TMS,isomer #4CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O)[C@@H]1CCCCCCC(=O)O)O[Si](C)(C)C2791.9Semi standard non polar33892256
Prostaglandin D1,2TMS,isomer #5CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C2734.6Semi standard non polar33892256
Prostaglandin D1,2TMS,isomer #6CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C)C[C@H](O)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C2916.6Semi standard non polar33892256
Prostaglandin D1,2TMS,isomer #7CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C2757.4Semi standard non polar33892256
Prostaglandin D1,2TMS,isomer #8CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CCCCCCC(=O)O2905.2Semi standard non polar33892256
Prostaglandin D1,2TMS,isomer #9CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1CCCCCCC(=O)O2789.9Semi standard non polar33892256
Prostaglandin D1,3TMS,isomer #1CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2743.5Semi standard non polar33892256
Prostaglandin D1,3TMS,isomer #2CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CCCCCCC(=O)O)O[Si](C)(C)C2928.8Semi standard non polar33892256
Prostaglandin D1,3TMS,isomer #3CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1CCCCCCC(=O)O)O[Si](C)(C)C2827.2Semi standard non polar33892256
Prostaglandin D1,3TMS,isomer #4CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2952.5Semi standard non polar33892256
Prostaglandin D1,3TMS,isomer #5CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2806.6Semi standard non polar33892256
Prostaglandin D1,3TMS,isomer #6CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C2900.1Semi standard non polar33892256
Prostaglandin D1,3TMS,isomer #7CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C2796.4Semi standard non polar33892256
Prostaglandin D1,4TMS,isomer #1CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2905.2Semi standard non polar33892256
Prostaglandin D1,4TMS,isomer #1CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2818.4Standard non polar33892256
Prostaglandin D1,4TMS,isomer #1CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2981.0Standard polar33892256
Prostaglandin D1,4TMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2859.7Semi standard non polar33892256
Prostaglandin D1,4TMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C2725.6Standard non polar33892256
Prostaglandin D1,4TMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C)=C[C@H](O[Si](C)(C)C)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C3017.8Standard polar33892256
Prostaglandin D1,1TBDMS,isomer #1CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)O)O[Si](C)(C)C(C)(C)C3062.7Semi standard non polar33892256
Prostaglandin D1,1TBDMS,isomer #2CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C3037.4Semi standard non polar33892256
Prostaglandin D1,1TBDMS,isomer #3CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCCCCCC(=O)O2969.3Semi standard non polar33892256
Prostaglandin D1,1TBDMS,isomer #4CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CCCCCCC(=O)O3123.0Semi standard non polar33892256
Prostaglandin D1,1TBDMS,isomer #5CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@@H]1CCCCCCC(=O)O2980.8Semi standard non polar33892256
Prostaglandin D1,2TBDMS,isomer #1CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCCCCCC(=O)O)O[Si](C)(C)C(C)(C)C3220.6Semi standard non polar33892256
Prostaglandin D1,2TBDMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3318.1Semi standard non polar33892256
Prostaglandin D1,2TBDMS,isomer #3CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CCCCCCC(=O)O)O[Si](C)(C)C(C)(C)C3405.5Semi standard non polar33892256
Prostaglandin D1,2TBDMS,isomer #4CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@@H]1CCCCCCC(=O)O)O[Si](C)(C)C(C)(C)C3276.6Semi standard non polar33892256
Prostaglandin D1,2TBDMS,isomer #5CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C3204.0Semi standard non polar33892256
Prostaglandin D1,2TBDMS,isomer #6CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C3345.1Semi standard non polar33892256
Prostaglandin D1,2TBDMS,isomer #7CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C3245.4Semi standard non polar33892256
Prostaglandin D1,2TBDMS,isomer #8CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCCCCCC(=O)O3316.4Semi standard non polar33892256
Prostaglandin D1,2TBDMS,isomer #9CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCCCCCC(=O)O3239.8Semi standard non polar33892256
Prostaglandin D1,3TBDMS,isomer #1CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3479.8Semi standard non polar33892256
Prostaglandin D1,3TBDMS,isomer #2CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCCCCCC(=O)O)O[Si](C)(C)C(C)(C)C3567.6Semi standard non polar33892256
Prostaglandin D1,3TBDMS,isomer #3CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCCCCCC(=O)O)O[Si](C)(C)C(C)(C)C3523.2Semi standard non polar33892256
Prostaglandin D1,3TBDMS,isomer #4CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3642.7Semi standard non polar33892256
Prostaglandin D1,3TBDMS,isomer #5CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3542.9Semi standard non polar33892256
Prostaglandin D1,3TBDMS,isomer #6CCCCC[C@H](O)/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C3535.6Semi standard non polar33892256
Prostaglandin D1,3TBDMS,isomer #7CCCCC[C@H](O)/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C3495.4Semi standard non polar33892256
Prostaglandin D1,4TBDMS,isomer #1CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3767.6Semi standard non polar33892256
Prostaglandin D1,4TBDMS,isomer #1CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3432.7Standard non polar33892256
Prostaglandin D1,4TBDMS,isomer #1CCCCC[C@@H](/C=C/C1=C(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3289.2Standard polar33892256
Prostaglandin D1,4TBDMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3739.4Semi standard non polar33892256
Prostaglandin D1,4TBDMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3215.3Standard non polar33892256
Prostaglandin D1,4TBDMS,isomer #2CCCCC[C@@H](/C=C/[C@H]1C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3297.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Prostaglandin D1 GC-MS (Non-derivatized) - 70eV, Positivesplash10-01p6-7394000000-61a4beceef991ea7edf52017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Prostaglandin D1 GC-MS (3 TMS) - 70eV, Positivesplash10-0a4l-7452690000-131fa87991aed048b4202017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Prostaglandin D1 GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Prostaglandin D1 10V, Positive-QTOFsplash10-00kr-0019000000-9d8624d18460cdecefcd2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Prostaglandin D1 20V, Positive-QTOFsplash10-01bl-4498000000-f0750b2254496b1f4fe32017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Prostaglandin D1 40V, Positive-QTOFsplash10-06du-9220000000-b45f534ddf23054279102017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Prostaglandin D1 10V, Negative-QTOFsplash10-0udr-0009000000-3140cbab7c81db32101b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Prostaglandin D1 20V, Negative-QTOFsplash10-0f79-1039000000-5cd765494d3c1f121b282017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Prostaglandin D1 40V, Negative-QTOFsplash10-0a4i-9631000000-9734107df1c16fb899162017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Prostaglandin D1 10V, Positive-QTOFsplash10-014i-0009000000-1746d3de0ce6f836b3912021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Prostaglandin D1 20V, Positive-QTOFsplash10-014i-7096000000-82c8788991fe0c03e7622021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Prostaglandin D1 40V, Positive-QTOFsplash10-05mo-9300000000-2fd7048bfc7fd607df6d2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Prostaglandin D1 10V, Negative-QTOFsplash10-0fri-0009000000-f7da3faa61631ece53632021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Prostaglandin D1 20V, Negative-QTOFsplash10-0fri-0049000000-dbee20d47da23ed3d4772021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Prostaglandin D1 40V, Negative-QTOFsplash10-002g-9153000000-3d01e42c9dfef3eb1e862021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.00001 +/- 0.000001 uMAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedCancer patients undergoing total body irradiation details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023631
KNApSAcK IDNot Available
Chemspider ID4444438
KEGG Compound IDC06438
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5280936
PDB IDNot Available
ChEBI ID27696
Food Biomarker OntologyNot Available
VMH IDHC02208
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Uski TK, Andersson KE, Brandt L, Ljunggren B: Characterization of the prostanoid receptors and of the contractile effects of prostaglandin F2 alpha in human pial arteries. Acta Physiol Scand. 1984 Aug;121(4):369-78. [PubMed:6091419 ]
  2. Masoodi M, Nicolaou A: Lipidomic analysis of twenty-seven prostanoids and isoprostanes by liquid chromatography/electrospray tandem mass spectrometry. Rapid Commun Mass Spectrom. 2006;20(20):3023-9. [PubMed:16986207 ]
  3. Lipid Maps (LMFA03010049) [Link]